CID 385699

Nsc677045

Structural Information

Molecular Formula
C17H16O2
SMILES
C1C(CC2=CC=CC=C21)CC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C17H16O2/c18-17(19)16-8-4-3-7-15(16)11-12-9-13-5-1-2-6-14(13)10-12/h1-8,12H,9-11H2,(H,18,19)
InChIKey
MRAPTYHAGZHFFH-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-2-ylmethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11504 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 157.8
[M+Na]+ 275.10426 164.7
[M-H]- 251.10776 164.0
[M+NH4]+ 270.14886 176.8
[M+K]+ 291.07820 159.8
[M+H-H2O]+ 235.11230 151.2
[M+HCOO]- 297.11324 178.4
[M+CH3COO]- 311.12889 169.8
[M+Na-2H]- 273.08971 160.6
[M]+ 252.11449 156.4
[M]- 252.11559 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.